SCHEMBL8989619

SCHEMBL8989619

CCNC(=O)Nc1cc2c3c(c1)[C@H](c1cccc(F)c1)CCN3CC[C@H]2c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
DRD4 P21917 1/20 0.40
KCNQ2 O43526 1/20 0.40
NPC1 O15118 3/20 0.38
NPY2R P49146 1/20 0.38
KMT2A Q03164 5/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
ABL1 P00519 1/20 0.37
MEN1 O00255 4/20 0.37
RAB9A P51151 2/20 0.37
HCRTR2 O43614 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RIPK1 Q13546 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8990120 0.95 DRD4 (0.46) EPHX2DRD4KCNQ2NPC1NPY2R
SCHEMBL8989648 0.92 MEN1 (0.43) EPHX2DRD4KCNQ2NPC1KMT2A
SCHEMBL8989632 0.90 NPC1 (0.41) EPHX2DRD4NPC1KMT2AALDH1A1
SCHEMBL8989600 0.88 RECQL (0.41) EPHX2KMT2ADRD2DRD1DRD5
SCHEMBL1411780 0.88 KDM1A (0.41) EPHX2NPY2RDRD2DRD1DRD5
SCHEMBL8990016 0.88 DRD4 (0.44) EPHX2DRD4KCNQ2KMT2AALDH1A1
SCHEMBL9057269 0.87 DRD4 (0.34) EPHX2DRD4KCNQ2NPC1NPY2R
SCHEMBL8990113 0.86 DRD4 (0.43) EPHX2DRD4KCNQ2NPC1KMT2A
SCHEMBL8989641 0.85 KCNQ2 (0.42) EPHX2DRD4KCNQ2NPC1KMT2A
SCHEMBL2392762 0.85 BRD4 (0.43) DRD4KCNQ2KMT2AALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2294069-B1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO[3,2,1-IJ]QUINOLINE COMPOUNDS ALLERGAN INC (US) 2015-09-02 EP disclosed
US-8431702-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2013-04-30 US disclosed
US-8431702-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2013-04-30 US disclosed
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2012-12-06 US disclosed
US-8309729-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-11-13 US disclosed
US-20120214838-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2012-08-23 US disclosed
US-8188279-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-05-29 US disclosed
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2011-09-29 US disclosed
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2010-01-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120214838-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 EPHX2 2635/4885DRD4 2347/4885KCNQ2 54/4885
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 EPHX2 2635/4885DRD4 2347/4885KCNQ2 54/4885
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 EPHX2 2635/4885DRD4 2347/4885KCNQ2 54/4885
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 EPHX2 2635/4885DRD4 2347/4885KCNQ2 54/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.